![3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone structure](/static/products/4777/477708-98-8.webp)
3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone
TL;DR: 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone (CAS 477708-98-8) is a chemical compound with molecular formula C9H11F3N2O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxybutan-2-one
Also Known As: 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}butan-2-one, 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone, 3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybutan-2-one, 3-([1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]oxy)butan-2-one, 11J-034
| Molecular Formula | C9H11F3N2O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.7952 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07726 |
| Heavy Atoms | 16 |
| Complexity | 397.94864 |
Chemical Identifiers
| CAS Number | 477708-98-8 |
|---|---|
| SMILES | CC(C(=O)C)OC1=CC(=NN1C)C(F)(F)F |
Product Overview
3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone (CAS 477708-98-8), with molecular formula C9H11F3N2O2 and molecular weight 236.08 g/mol. IUPAC: 3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxybutan-2-one.
Chemical Property Profile of 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone
Property Insights of 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone
The XLogP value of 1.7952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone. With a topological polar surface area (TPSA) of 44.12 Ų, 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone?
The CAS number of 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone is 477708-98-8.
What is the molecular formula of 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone?
The molecular formula of 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone is C9H11F3N2O2.
What is the molecular weight of 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone?
The molecular weight of 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone is 236.08 g/mol.
Where can I buy 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone?
You can request a quote for 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.